Re: [Jmol-users] crystal contacts filter problem

[Robert H. <ha...@st...>]

On Thu, May 17, 2012 at 8:49 PM, Eric Martz <em...@mi...>wrote:

>
>   load "" {444 666 1} filter "within(7.0, not symmetry)"
>
>
Ah, that's not going to work. However there is a way to do this. Check out
the LOAD RANGE option.



> What am I doing wrong???
>
> I assume that doing the symmetry and filter in a single operation
> will make Jmol more efficient, vs. first doing symmetry, and then
> simply restricting to the crystal contacts.
>
> I thought perhaps I could delete the unwanted atoms to free
> resources, but when I do this
>
> load "" {444 666 1}
> delete not within(7.0, not symmetry)
>
> the memory use report at the lower right of the Jmol application
> (12.2.25) jumps from 35 Mb to over 1000 Mb. Subsequent operations do
> not work and peg the CPU, e.g.
>
> center all
>
> Thanks, Eric
>
>
>
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-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
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phone: 507-786-3107


If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900